2Z0M
 
 | | Crystal structure of hypothetical ATP-dependent RNA helicase from Sulfolobus tokodaii | | Descriptor: | 337aa long hypothetical ATP-dependent RNA helicase deaD | | Authors: | Nakagawa, N, Kusano, S, Shirouzu, M, Chen, L, Fu, Z.-Q, Chrzas, J, Wang, B.-C, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-07 | | Release date: | 2007-11-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of hypothetical ATP-dependent RNA helicase from Sulfolobus tokodaii
To be Published
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8TSA
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSB
 | | Human PI3K p85alpha/p110alpha bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TS8
 | | p85alpha/p110alpha heterodimer H1047R mutant | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSD
 | | Human PI3K p85alpha/p110alpha bound to RLY-2608 | | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TTO
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8TS7
 | | Human PI3K p85alpha/p110alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TS9
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSC
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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4J2J
 | | Crystal structure of AXH domain complex with Capicua | | Descriptor: | Ataxin-1, Protein capicua homolog | | Authors: | Song, J.-J, Kim, E. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of protein complex formation and reconfiguration by polyglutamine disease protein Ataxin-1 and Capicua
Genes Dev., 27, 2013
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8UAE
 | | E. coli Sir2_HerA complex (12:6) with ATPgamaS | | Descriptor: | MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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8UAF
 | | E. coli Sir2_HerA complex (12:6) bound with NAD+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Shen, Z.F, Lin, Q.P, Fu, T.M. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
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1MWK
 | | ParM from plasmid R1 APO form | | Descriptor: | ParM | | Authors: | Van den Ent, F, Moller-Jensen, J, Amos, L.A, Gerdes, K, Lowe, J. | | Deposit date: | 2002-09-30 | | Release date: | 2003-01-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | F-actin-like filaments formed by plasmid segregation protein ParM
EMBO J., 21, 2002
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3B33
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6EB6
 | | Crystal structure of BAX W139A monomer | | Descriptor: | Apoptosis regulator BAX, FORMIC ACID | | Authors: | Robin, A.Y. | | Deposit date: | 2018-08-05 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.023 Å) | | Cite: | BAX Activation: Mutations Near Its Proposed Non-canonical BH3 Binding Site Reveal Allosteric Changes Controlling Mitochondrial Association.
Cell Rep, 27, 2019
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4ND5
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4JLG
 | | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | | Descriptor: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2X2Q
 | | Crystal structure of an 'all locked' LNA duplex at 1.9 angstrom resolution | | Descriptor: | CACODYLATE ION, COBALT HEXAMMINE(III), LOCKED NUCLEIC ACID DERIVED FROM TRNA SER ACCEPTOR STEM MICROHELIX, ... | | Authors: | Eichert, A, Behling, K, Fuerste, J.P, Betzel, C, Erdmann, V.A, Foerster, C. | | Deposit date: | 2010-01-15 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Crystal Structure of an 'All Locked' Nucleic Acid Duplex.
Nucleic Acids Res., 38, 2010
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4J5Y
 | | Crystal structure of Hfq from Pseudomonas aeruginosa in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Protein hfq, ... | | Authors: | Murina, V, Lekontseva, N, Nikulin, A. | | Deposit date: | 2013-02-11 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.0953 Å) | | Cite: | Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
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8U64
 | | Cryo-EM structure of PsBphP in Pfr state, medial PSM only | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U4X
 | | Cryo-EM structure of PsBphP in Pr state | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-11 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U62
 | | Cryo-EM structure of PsBphP in Pfr state, Dimer of Dimers FL | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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3CWK
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8U65
 | | Cryo-EM structure of PsBphP in Pfr state, splayed PSM only | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-13 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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8U8Z
 | | Cryo-EM structure of PsBphP in Pr state, extended DHp | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | | Deposit date: | 2023-09-18 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor.
Nat Commun, 15, 2024
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